adding gasteiger charges to peptide
sx:7  sy:9  sz:11  
cx:34.849  cy:26.830  cz:12.481  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=cl111@rice.edu&time=20250424230347&rec=TBPol_Protein_docking_small_mol.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-30 10:12:23 94
('\xe5\xbc\x80\xe5\xa7\x8b\xe8\xbf\x90\xe8\xa1\x8c\xe5\x91\xbd\xe4\xbb\xa4\xef\xbc\x9a', 'perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/Guest/bd-screen/20250425131652/screen ../lib/pdbqt/fdaapp_new 100 null none 17.524 9.666 -26.372 11 30 11 NewTRIM21ANDPPP1CA.pdb 2120123356@qq.com 1> ../dock_file/Guest/bd-screen/20250425131652/screen/log.txt 2>../dock_file/Guest/bd-screen/20250425131652/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/cl111@rice.edu/bd-screen/20250424230347/screen TBPol_Protein_docking_small_mol.pdb cl111@rice.edu FDA-approved2025-02-27 21:59:51
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2025-04-24 23:03:47
update status in workRecord success
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